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Amino acids and derivatives

beta-Methyllanthionine

Also known as beta-methyl-lanthionine, Butanoic acid, 2-amino-3-((2-amino-2-carboxyethyl)thio)-, (2S-(2R*,3R*(S*)))-, (2S,3S,6R)-3-methyllanthionine

CAS 42849-28-5Formula C7H14N2O4SMolar mass 222.27 g/mol
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beta-Methyllanthionine chemical structure, C7H14N2O4S, CAS 42849-28-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
42849-28-5
Formula
C7H14N2O4S
Molar mass
222.27 g/mol
HS code
293090
Category
Amino acids and derivatives

What is beta-Methyllanthionine?

Plain description, key identifiers and synonyms

beta-Methyllanthionine is a chemical substance with the molecular formula C7H14N2O4S and a molar mass of 222.27 g/mol. Its CAS registry number is 42849-28-5. The IUPAC name is (2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
CAS number
42849-28-5 CAS number cross-checked
Molecular formula
C7H14N2O4S
UNII
MZ6AHU9TAO
InChIKey
NSGOABPZARPCFM-VAYJURFESA-N
InChI
InChI=1S/C7H14N2O4S/c1-3(5(9)7(12)13)14-2-4(8)6(10)11/h3-5H,2,8-9H2,1H3,(H,10,11)(H,12,13)/t3-,4-,5+/m0/s1
Canonical SMILES
CC(SCC(N)C(=O)O)C(N)C(=O)O
Isomeric SMILES
C[C@@H]([C@H](C(=O)O)N)SC[C@@H](C(=O)O)N

Synonyms

  • beta-methyl-lanthionine
  • Butanoic acid, 2-amino-3-((2-amino-2-carboxyethyl)thio)-, (2S-(2R*,3R*(S*)))-
  • (2S,3S,6R)-3-methyllanthionine
  • (2s,3s)-2-amino-3-{[(2r)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid
  • (2S,3S,6R)-2,6-Diamino-3-methyl-4-thiaheptanedioic acid
  • 3-Methyllanthionine, (2S,3S,6R)-
  • (2S,3S,2'r)-beta-methyllanthionine
  • (2S,3S)-2-Amino-3-(((2R)-2-amino-2-carboxyethyl)thio)butyric acid
  • (2S,3S)-2-Amino-3-((2R)-2-amino-2-carboxyethyl)sulfanylbutanoic acid
  • (2S,3S)-2-Amino-3-((2R)-2-amino-3-hydroxy-3-oxopropyl)sulfanylbutanoic acid
  • Butanoic acid, 2-amino-3-(((2R)-2-amino-2-carboxyethyl)thio)-, (2S,3S)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
222.27 g/molcalc.
Exact mass
222.0674 Dacalc.
LogP (octanol/water)
-1.07calc.
Topological polar surface area
126.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
14calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

beta-Methyllanthionine suppliers

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beta-Methyllanthionine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code beta-Methyllanthionine is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for beta-Methyllanthionine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Methyllanthionine, based on the data on this page

What is beta-Methyllanthionine?

beta-Methyllanthionine is a chemical substance with the molecular formula C7H14N2O4S and a molar mass of 222.27 g/mol. Its CAS registry number is 42849-28-5. The IUPAC name is (2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid.

What is the CAS number of beta-Methyllanthionine?

The CAS registry number of beta-Methyllanthionine is 42849-28-5.

What is the molecular formula and weight of beta-Methyllanthionine?

The molecular formula of beta-Methyllanthionine is C7H14N2O4S and its molar mass is 222.27 g/mol.

Is beta-Methyllanthionine hazardous?

No GHS hazard classification for beta-Methyllanthionine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of beta-Methyllanthionine?

beta-Methyllanthionine is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy beta-Methyllanthionine?

Post a free request on CompoundList and suppliers of beta-Methyllanthionine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of beta-Methyllanthionine?

Suppliers quote beta-Methyllanthionine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle beta-Methyllanthionine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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